Information card for entry 4346793

Structure parameters

• Formula: C87.5 H108 B Cl Cu N8
• Calculated formula: C87.5 H108 B Cl Cu N8
• SMILES: [Cu](N(C(=N\c1c(cccc1C(C)C)C(C)C)\c1n(cc[n+]1C)C)c1c(cccc1C(C)C)C(C)C)N(C(=N\c1c(cccc1C(C)C)C(C)C)\c1n(cc[n+]1C)C)c1c(cccc1C(C)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.ClCCl
• Title of publication: Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.
• Authors of publication: Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 11007 - 11017
• a: 32.739 ± 0.003 Å
• b: 26.39 ± 0.003 Å
• c: 18.644 ± 0.002 Å
• α: 90°
• β: 91.556 ± 0.003°
• γ: 90°
• Cell volume: 16102 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No